2,6,7,8-tetrahydrothiochromen-5-one

C9H10OS — CID 86255805

IUPAC2,6,7,8-tetrahydrothiochromen-5-one
SMILESO=C1CCCC2=C1C=CCS2
InChIInChI=1S/C9H10OS/c10-8-4-1-5-9-7(8)3-2-6-11-9/h2-3H,1,4-6H2
InChIKeyOUKDJKVZCQDLCS-UHFFFAOYSA-N
MW166.25 g/mol
LogP2.30
Rot. Bonds

About 2,6,7,8-tetrahydrothiochromen-5-one

2,6,7,8-tetrahydrothiochromen-5-one (PubChem CID 86255805) has the molecular formula C9H10OS and a molecular weight of 166.25 g/mol. Its IUPAC name is 2,6,7,8-tetrahydrothiochromen-5-one.

Molecular Properties

Compound Name2,6,7,8-tetrahydrothiochromen-5-one
PubChem CID86255805
Molecular FormulaC9H10OS
Molecular Weight166.25 g/mol
Exact Mass166.05
IUPAC Name2,6,7,8-tetrahydrothiochromen-5-one
SMILESO=C1CCCC2=C1C=CCS2
InChIInChI=1S/C9H10OS/c10-8-4-1-5-9-7(8)3-2-6-11-9/h2-3H,1,4-6H2
InChIKeyOUKDJKVZCQDLCS-UHFFFAOYSA-N
XLogP2.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6,7,8-tetrahydrothiochromen-5-one?
The IUPAC name of 2,6,7,8-tetrahydrothiochromen-5-one (CID 86255805) is 2,6,7,8-tetrahydrothiochromen-5-one.
What is the SMILES notation for 2,6,7,8-tetrahydrothiochromen-5-one?
The canonical SMILES for 2,6,7,8-tetrahydrothiochromen-5-one is O=C1CCCC2=C1C=CCS2.
What is the InChIKey of 2,6,7,8-tetrahydrothiochromen-5-one?
The InChIKey is OUKDJKVZCQDLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10OS/c10-8-4-1-5-9-7(8)3-2-6-11-9/h2-3H,1,4-6H2.
What are the key properties of 2,6,7,8-tetrahydrothiochromen-5-one?
2,6,7,8-tetrahydrothiochromen-5-one has a molecular weight of 166.25 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7,8-tetrahydrothiochromen-5-one is sourced from PubChem (CID 86255805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).